ChemSpider 2D Image | 6-Chloro-2-sulfanyl-1-benzothiophene-4-carbaldehyde | C9H5ClOS2

6-Chloro-2-sulfanyl-1-benzothiophene-4-carbaldehyde

  • Molecular FormulaC9H5ClOS2
  • Average mass228.718 Da
  • Monoisotopic mass227.947037 Da
  • ChemSpider ID61102886

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-Chlor-2-sulfanyl-1-benzothiophen-4-carbaldehyd [German] [ACD/IUPAC Name]
6-Chloro-2-sulfanyl-1-benzothiophene-4-carbaldehyde [ACD/IUPAC Name]
6-Chloro-2-sulfanyl-1-benzothiophène-4-carbaldéhyde [French] [ACD/IUPAC Name]
Benzo[b]thiophene-4-carboxaldehyde, 6-chloro-2-mercapto- [ACD/Index Name]
1936111-53-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 394.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.5±26.5 °C
Index of Refraction: 1.775
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 181.86
ACD/KOC (pH 5.5): 1120.07
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 25.59
Polar Surface Area: 84 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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